General Information of the Compound
| Compound ID |
CP0411203
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| Compound Name |
(5Z)-5-[[4-(2,3-dihydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
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| Formula |
C22H24N2O4S
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| Molecular Weight |
412.511
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C22H24N2O4S/c1-15(2)23-22-24(17-6-4-3-5-7-17)21(27)20(29-22)12-16-8-10-19(11-9-16)28-14-18(26)13-25/h3-12,15,18,25-26H,13-14H2,1-2H3/b20-12-,23-22-
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| InChIKey |
PQINQIPEVQVMCM-SASMBBMYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3